Accuracy

Sm_(KUYBAH) r   6703 Samarium complex, CCDC: KUYBAH (Geo)

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    #  Species Formula
  6693 Samarium complex, CCDC: XEXJAL (Geo)C27H27N4O3Sm
  6694 Samarium complex, CCDC: ZALDUL (Geo)C57H75N6O3Sm
  6695 Samarium complex, CCDC: NAFKIO (Geo)C44H67O5Sm
  6696 Samarium complex, CCDC: XAXYAW (Geo)C40H67N2O6Sm
  6697 Samarium complex, CCDC: QIPQOV (Geo)C21H27N3O6Sm
  6698 Samarium complex, CCDC: CAZHAM (Geo)C15H25O8Sm
  6699 Samarium complex, CCDC: YEYLAP (Geo)C37H67O8Sm
  6700 Samarium complex, CCDC: NOWTUO (Geo)C15H25N4O8Sm
  6701 Samarium complex, CCDC: FUJYEO (Geo)C8H20N12O8Sm
  6702 Samarium complex, CCDC: BUVWUK01 (Geo)H18O9Sm
  6703 Samarium complex, CCDC: KUYBAH (Geo) C6H24O9Sm
  6704 Samarium complex, CCDC: GINPEY (Geo)C8H26O9Sm
  6705 Samarium complex, CCDC: CORKEZ (Geo)C14H14N2O9Sm
  6706 Samarium complex, CCDC: YENHOO (Geo)C21H27N6O9Sm
  6707 Samarium complex, CCDC: LUHFEZ (Geo)C18H14N7O9Sm
  6708 Samarium complex, CCDC: ECABIT (Geo)C24H16N7O9Sm
  6709 Samarium complex, CCDC: DUCHEO (Geo)C13H10N9O10Sm
  6710 Samarium complex, CCDC: KIWROX (Geo)C18H14N9O10Sm
  6711 Samarium complex, CCDC: NSMEDT01 (Geo)C10H18N2O11Sm
  6712 Samarium complex, CCDC: QALFAK (Geo)H6N3O12Sm
  6713 Samarium complex, CCDC: MOXJEO (Geo)C30H57N6O12Sm


REF: The Cambridge Structural Database: a quarter of a million crystal structures and rising. F. H. Allen, Acta Cryst. B58, 380-388, (2002)
  
 PM7 SPARKLES CHARGE=3.0
Samarium complex, CCDC: KUYBAH
 <Sm-O2> <Sm-O3> <> <Sm-O4> <> <> <Sm-O5> <> <> <Sm-O*> <> <> <Sm-O6> GR=CCDC
 Sm     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.42209932 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.43510000 +1  135.9968340 +1    0.0000000 +0     1     2     0
  O     2.44410028 +1   73.6508076 +1   54.5052225 +1     1     2     3
  O     2.45850076 +1  101.5090028 +1  139.9214457 +1     1     2     3
  O     2.46279994 +1   78.8959457 +1  -47.7323645 +1     1     2     3
  O     2.47079959 +1  113.2396327 +1 -136.2110985 +1     1     2     3
  O     3.80114773 +1   87.1361232 +1   -3.6586378 +1     1     2     3
  O     3.76410046 +1   49.2565645 +1   12.9022054 +1     1     2     3
  O     4.38947530 +1  136.5019217 +1 -115.7249402 +1     1     2     3
  C     1.49521816 +1  131.5010488 +1   38.0959241 +1     3     1     2
  C     1.41427850 +1   98.2824123 +1  176.9643954 +1     8     1     2
  C     1.42876439 +1  126.8857968 +1   44.4322454 +1     8     1     2
  C     1.43148903 +1  131.2329639 +1 -138.6448378 +1     9     1     2
  C     1.42214090 +1   99.3165613 +1   -2.6661621 +1     9     1     2
  C     1.49983657 +1  131.8520591 +1  -53.7542554 +1     2     1     3
  H     1.10222461 +1  102.7009845 +1   34.1997649 +1    11     3     1
  H     1.11066515 +1  105.9768652 +1  150.4792805 +1    11     3     1
  H     1.11248117 +1  104.2631628 +1   88.3350453 +1    12     8     1
  H     1.11630197 +1  112.4012275 +1 -155.7125101 +1    12     8     1
  H     1.10538624 +1  108.5669230 +1   64.5620440 +1    13     8     1
  H     1.11578761 +1  109.3762601 +1 -175.5590236 +1    13     8     1
  H     1.10804300 +1  108.2621759 +1   73.9488056 +1    14     9     1
  H     1.11410673 +1  109.2150054 +1 -166.2815321 +1    14     9     1
  H     1.11941893 +1  109.2165338 +1  154.0322728 +1    15     9     1
  H     1.10991227 +1  108.7767507 +1  -87.5036566 +1    15     9     1
  H     1.11299348 +1  105.9416185 +1 -152.2160709 +1    16     2     1
  H     1.10321779 +1  102.8964102 +1  -36.5330956 +1    16     2     1
  H     1.00120515 +1  128.7071831 +1  124.7696408 +1     5     1     2
  H     1.10705475 +1  127.0819327 +1  149.8060112 +1     7     1     2
  H     0.99959119 +1  122.6156777 +1  116.3582936 +1     2     1     3
  H     0.99739240 +1  122.0963842 +1 -132.8119695 +1     3     1     2
  H     0.98528252 +1  143.0752809 +1  -90.3415421 +1     6     1     2
  H     0.98195114 +1  126.2506052 +1 -121.1437611 +1    10     1     2
  H     0.98324816 +1  143.5938184 +1  128.4876330 +1     4     1     2
  H     0.98192206 +1  126.0957523 +1   35.4743741 +1    10     1     2
  H     0.97726385 +1  133.6174155 +1  -25.9445197 +1     7     1     2
  H     1.00117769 +1  131.4226769 +1  -54.0369058 +1     5     1     2
  H     1.01546656 +1  113.4760002 +1   91.5867137 +1     6     1     2
  H     1.03662935 +1  112.9140920 +1  -52.7688639 +1     4     1     2